| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 27 | No |
Popular Name: (2-amino-4-methyl-5-phenyl-3-thienyl)-(3,4,5-trimethoxyphenyl)methanone (2-amino-4-methyl-5-phenyl-3-thi…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.51 | 8.33 | -10.68 | 2 | 5 | 0 | 71 | 383.469 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q862F3-1-E | Tubulin Alpha Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.29 | Binding ≤ 10μM |
| Q862L2-1-E | Tubulin Alpha-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.29 | Binding ≤ 10μM |
| TBB2B-1-E | Tubulin Beta Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2200 | 0.29 | Binding ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 6 | 0.43 | Functional ≤ 10μM |
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 18 | 0.40 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 850 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q862F3_BOVIN | Q862F3 | Tubulin Alpha Chain, Bovin | 2200 | 0.29 | Binding ≤ 10μM |
| Q862L2_BOVIN | Q862L2 | Tubulin Alpha-1 Chain, Bovin | 2200 | 0.29 | Binding ≤ 10μM |
| TBB2B_BOVIN | Q6B856 | Tubulin Beta Chain, Bovin | 2200 | 0.29 | Binding ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 850 | 0.31 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 6.42 | 0.42 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 1300 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Formation of tubulin folding intermediates by CCT/TriC | |
| Gap junction assembly | |
| Kinesins | |
| MHC class II antigen presentation | |
| Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane | |
| Mitotic Prometaphase | |
| Post-chaperonin tubulin folding pathway | |
| Prefoldin mediated transfer of substrate to CCT/TriC | |
| Recruitment of NuMA to mitotic centrosomes | |
| Recycling pathway of L1 | |
| Resolution of Sister Chromatid Cohesion | |
| Separation of Sister Chromatids | |
| Translocation of GLUT4 to the plasma membrane |
No pre-computed analogs available. Try a structural similarity search.
